3-chloro-2-methyl-N-(2-methylpropoxy)propanamide

C8H16ClNO2 — CID 82715896

IUPAC3-chloro-2-methyl-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)C(C)CCl
InChIInChI=1S/C8H16ClNO2/c1-6(2)5-12-10-8(11)7(3)4-9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyIBSRPYIXFKOCIU-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.57
Rot. Bonds5

About 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide

3-chloro-2-methyl-N-(2-methylpropoxy)propanamide (PubChem CID 82715896) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methylpropoxy)propanamide
PubChem CID82715896
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name3-chloro-2-methyl-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)C(C)CCl
InChIInChI=1S/C8H16ClNO2/c1-6(2)5-12-10-8(11)7(3)4-9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyIBSRPYIXFKOCIU-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
2-acetamido-N-(2-methylpropoxy)propanamide
CID 115409958
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
CID 115410186
dichloromethane;2-methylpropyl acetate
CID 174845885
2,2-di(cyclobutyl)-N-(2-methylpropoxy)acetamide
CID 112745042
N-(2-methylpropoxy)butanamide
CID 87986570
(2S)-N-ethoxy-2-methylpentanamide
CID 90228672
(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide
CID 104898288
N-ethoxy-3-(ethylamino)-2-methylpropanamide
CID 64974607
4-hydroxy-N-(2-methylpropoxy)pentanamide
CID 82721233
N-(2-methylpropoxy)but-2-ynamide
CID 107989472

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide (CID 82715896) is 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide is CC(C)CONC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide?
The InChIKey is IBSRPYIXFKOCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-6(2)5-12-10-8(11)7(3)4-9/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide?
3-chloro-2-methyl-N-(2-methylpropoxy)propanamide has a molecular weight of 193.67 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methylpropoxy)propanamide is sourced from PubChem (CID 82715896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).